2-[3-(2-hydroxyethoxy)cyclohexa-1,3-dien-1-yl]oxyethanol

C10H16O4 — CID 70974039

IUPAC2-[3-(2-hydroxyethoxy)cyclohexa-1,3-dien-1-yl]oxyethanol
SMILESOCCOC1=CCCC(OCCO)=C1
InChIInChI=1S/C10H16O4/c11-4-6-13-9-2-1-3-10(8-9)14-7-5-12/h2,8,11-12H,1,3-7H2
InChIKeyKERCQWABUGVASR-UHFFFAOYSA-N
MW200.23 g/mol
LogP0.57
Rot. Bonds6

About 2-[3-(2-hydroxyethoxy)cyclohexa-1,3-dien-1-yl]oxyethanol

2-[3-(2-hydroxyethoxy)cyclohexa-1,3-dien-1-yl]oxyethanol (PubChem CID 70974039) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 2-[3-(2-hydroxyethoxy)cyclohexa-1,3-dien-1-yl]oxyethanol.

Molecular Properties

Compound Name2-[3-(2-hydroxyethoxy)cyclohexa-1,3-dien-1-yl]oxyethanol
PubChem CID70974039
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name2-[3-(2-hydroxyethoxy)cyclohexa-1,3-dien-1-yl]oxyethanol
SMILESOCCOC1=CCCC(OCCO)=C1
InChIInChI=1S/C10H16O4/c11-4-6-13-9-2-1-3-10(8-9)14-7-5-12/h2,8,11-12H,1,3-7H2
InChIKeyKERCQWABUGVASR-UHFFFAOYSA-N
XLogP0.57
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-hydroxyethoxy)cyclohexa-1,3-dien-1-yl]oxyethanol?
The IUPAC name of 2-[3-(2-hydroxyethoxy)cyclohexa-1,3-dien-1-yl]oxyethanol (CID 70974039) is 2-[3-(2-hydroxyethoxy)cyclohexa-1,3-dien-1-yl]oxyethanol.
What is the SMILES notation for 2-[3-(2-hydroxyethoxy)cyclohexa-1,3-dien-1-yl]oxyethanol?
The canonical SMILES for 2-[3-(2-hydroxyethoxy)cyclohexa-1,3-dien-1-yl]oxyethanol is OCCOC1=CCCC(OCCO)=C1.
What is the InChIKey of 2-[3-(2-hydroxyethoxy)cyclohexa-1,3-dien-1-yl]oxyethanol?
The InChIKey is KERCQWABUGVASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c11-4-6-13-9-2-1-3-10(8-9)14-7-5-12/h2,8,11-12H,1,3-7H2.
What are the key properties of 2-[3-(2-hydroxyethoxy)cyclohexa-1,3-dien-1-yl]oxyethanol?
2-[3-(2-hydroxyethoxy)cyclohexa-1,3-dien-1-yl]oxyethanol has a molecular weight of 200.23 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-hydroxyethoxy)cyclohexa-1,3-dien-1-yl]oxyethanol is sourced from PubChem (CID 70974039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).